5WNH
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![BU of 5wnh by Molmil](/molmil-images/mine/5wnh) | |
6G4D
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![BU of 6g4d by Molmil](/molmil-images/mine/6g4d) | |
4IH6
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![BU of 4ih6 by Molmil](/molmil-images/mine/4ih6) | |
4IH7
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![BU of 4ih7 by Molmil](/molmil-images/mine/4ih7) | |
4MKB
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![BU of 4mkb by Molmil](/molmil-images/mine/4mkb) | |
4MK9
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![BU of 4mk9 by Molmil](/molmil-images/mine/4mk9) | Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with inhibitor 12 (N-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1,3-benzoxazol-5-yl}methanesulfonamide) | Descriptor: | GLYCEROL, N-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1,3-benzoxazol-5-yl}methanesulfonamide, RNA-DIRECTED RNA POLYMERASE | Authors: | Harris, S.F, Wong, A. | Deposit date: | 2013-09-04 | Release date: | 2013-10-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of a Novel Series of Potent Non-Nucleoside Inhibitors of Hepatitis C Virus NS5B. J.Med.Chem., 56, 2013
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6H6Q
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![BU of 6h6q by Molmil](/molmil-images/mine/6h6q) | Fragment Derived XIAP inhibitor | Descriptor: | 2-[(2~{R},5~{R})-2-[[(3~{R},5~{R})-3,5-dimethylmorpholin-4-yl]methyl]-5-methyl-piperazin-1-yl]-1-[6-[(~{S})-(4-fluorophenyl)-oxidanyl-methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]ethanone, E3 ubiquitin-protein ligase XIAP, ZINC ION | Authors: | Williams, P.A. | Deposit date: | 2018-07-30 | Release date: | 2018-08-22 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | A Fragment-Derived Clinical Candidate for Antagonism of X-Linked and Cellular Inhibitor of Apoptosis Proteins: 1-(6-[(4-Fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-1 H,2 H,3 H-pyrrolo[3,2- b]pyridin-1-yl)-2-[(2 R,5 R)-5-methyl-2-([(3R)-3-methylmorpholin-4-yl]methyl)piperazin-1-yl]ethan-1-one (ASTX660). J. Med. Chem., 61, 2018
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4MKA
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![BU of 4mka by Molmil](/molmil-images/mine/4mka) | Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with inhibitor 13 (N-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1,3-benzoxazol-5-yl}methanesulfonamide) | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, N-{3-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1-oxo-1H-isochromen-7-yl}methanesulfonamide, ... | Authors: | Harris, S.F, Wong, A. | Deposit date: | 2013-09-04 | Release date: | 2013-10-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of a Novel Series of Potent Non-Nucleoside Inhibitors of Hepatitis C Virus NS5B. J.Med.Chem., 56, 2013
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4I0S
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3H59
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![BU of 3h59 by Molmil](/molmil-images/mine/3h59) | Hepatitis C virus polymerase NS5B with thiazine inhibitor 2 | Descriptor: | N-{3-[(5S)-5-(1,1-dimethylpropyl)-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase | Authors: | Harris, S.F, Ghate, M. | Deposit date: | 2009-04-21 | Release date: | 2009-09-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Non-nucleoside inhibitors of HCV polymerase NS5B. Part 3: synthesis and optimization studies of benzothiazine-substituted tetramic acids Bioorg.Med.Chem.Lett., 19, 2009
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7STI
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7STJ
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7STK
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7STH
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3SDH
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![BU of 3sdh by Molmil](/molmil-images/mine/3sdh) | |
4FZ7
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![BU of 4fz7 by Molmil](/molmil-images/mine/4fz7) | |
2XRA
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![BU of 2xra by Molmil](/molmil-images/mine/2xra) | crystal structure of the HK20 Fab in complex with a gp41 mimetic 5- Helix | Descriptor: | HK20, HUMAN MONOCLONAL ANTIBODY HEAVY CHAIN, HUMAN MONOCLONAL ANTIBODY LIGHT CHAIN, ... | Authors: | Sabin, C, Corti, D, Buzon, V, Seaman, M.S, Lutje Hulsik, D, Hinz, A, Vanzetta, F, Agatic, G, Silacci, C, Langedijk, J.P.M, Mainetti, L, Scarlatti, G, Sallusto, F, Weiss, R, Lanzavecchia, A, Weissenhorn, W. | Deposit date: | 2010-09-13 | Release date: | 2010-12-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure and size-dependent neutralization properties of HK20, a human monoclonal antibody binding to the highly conserved heptad repeat 1 of gp41. PLoS Pathog., 6, 2010
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4BL0
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![BU of 4bl0 by Molmil](/molmil-images/mine/4bl0) | Crystal structure of yeast Bub3-Bub1 bound to phospho-Spc105 | Descriptor: | CELL CYCLE ARREST PROTEIN BUB3, CHECKPOINT SERINE/THREONINE-PROTEIN KINASE BUB1, MAGNESIUM ION, ... | Authors: | Primorac, I, Weir, J.R, Musacchio, A. | Deposit date: | 2013-04-30 | Release date: | 2013-09-18 | Last modified: | 2013-10-09 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Bub3 Reads Phosphorylated Melt Repeats to Promote Spindle Assembly Checkpoint Signaling Elife, 2, 2013
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5G0Z
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![BU of 5g0z by Molmil](/molmil-images/mine/5g0z) | Structure of native granulovirus polyhedrin determined using an X-ray free-electron laser | Descriptor: | GRANULIN | Authors: | Gati, C, Bunker, R.D, Oberthur, D, Metcalf, P, Henry, C. | Deposit date: | 2016-03-23 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Atomic structure of granulin determined from native nanocrystalline granulovirus using an X-ray free-electron laser. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7T5P
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![BU of 7t5p by Molmil](/molmil-images/mine/7t5p) | Cryo-EM structure of human SIMC1-SLF2 complex | Descriptor: | SMC5-SMC6 complex localization factor protein 2, SUMO-interacting motif-containing protein 1 | Authors: | Maeda, S, Oravcova, M, Boddy, M.N, Otomo, T. | Deposit date: | 2021-12-13 | Release date: | 2022-12-07 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | The Nse5/6-like SIMC1-SLF2 complex localizes SMC5/6 to viral replication centers. Elife, 11, 2022
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6ZOS
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![BU of 6zos by Molmil](/molmil-images/mine/6zos) | Oestrogen receptor ligand binding domain in complex with compound 18 | Descriptor: | 6-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-[1-(3-fluoranylpropyl)azetidin-3-yl]pyridin-3-amine, Estrogen receptor | Authors: | Breed, J. | Deposit date: | 2020-07-07 | Release date: | 2021-01-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist. J.Med.Chem., 63, 2020
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7AR4
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![BU of 7ar4 by Molmil](/molmil-images/mine/7ar4) | Crystal structure of beta-catenin in complex with cyclic peptide inhibitor | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Cadherin-1, ... | Authors: | Wendt, M, Pearce, N.M, Grossmann, T.N, Hennig, S. | Deposit date: | 2020-10-23 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Bicyclic beta-Sheet Mimetics that Target the Transcriptional Coactivator beta-Catenin and Inhibit Wnt Signaling. Angew.Chem.Int.Ed.Engl., 60, 2021
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2AK3
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![BU of 2ak3 by Molmil](/molmil-images/mine/2ak3) | |
4HRR
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![BU of 4hrr by Molmil](/molmil-images/mine/4hrr) | Scapharca tetrameric hemoglobin, CO-state | Descriptor: | CARBON MONOXIDE, Globin-2 A chain, Hemoglobin B chain, ... | Authors: | Royer, W.E. | Deposit date: | 2012-10-28 | Release date: | 2013-03-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Tertiary and Quaternary Allostery in Tetrameric Hemoglobin from Scapharca inaequivalvis. Biochemistry, 52, 2013
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2Y1S
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![BU of 2y1s by Molmil](/molmil-images/mine/2y1s) | Microvirin lectin | Descriptor: | Mannan-binding lectin | Authors: | Bewley, C.A, Hussan, S. | Deposit date: | 2010-12-10 | Release date: | 2011-04-06 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Solution structure of the monovalent lectin microvirin in complex with Man(alpha)(1-2)Man provides a basis for anti-HIV activity with low toxicity. J. Biol. Chem., 286, 2011
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